Monomers

2-Propenyl trimethylacetate

Identifiers

IUPAC name
prop-2-enyl 2,2-dimethylpropanoate
InchI
InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3
InchI Key
GVVKBARIYRBZHC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(C)(C)C
Canonical SMILES
CC(C)(C)C(=O)OCC=C
Isomeric SMILES
CC(C)(C)C(=O)OCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 24 23  0  0  0  0  0  0  0  0999 V2000
    3.6352    0.6042    0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8166    0.1304   -0.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688   -1.1196   -0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6738   -0.8980   -0.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0287    0.0024    0.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6981    0.6266    1.2704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4403    0.1311    0.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0334    1.1236    1.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6782    0.5057   -1.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0201   -1.2686    0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7788    0.1069    1.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943    1.5160    0.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7052    0.6553   -1.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3846   -1.5703    0.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3045   -1.8078   -1.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2228    2.0774    0.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9805    0.8088    1.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3031    1.4241    2.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5030   -0.0919   -1.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9786    1.5876   -1.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7855    0.3240   -1.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8804   -1.5835    1.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4059   -1.9473   -0.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0569   -1.3370    0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers